1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane

C10H19BrO2 — CID 65008111

IUPAC1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane
SMILESCOCCCOCC1(CBr)CCC1
InChIInChI=1S/C10H19BrO2/c1-12-6-3-7-13-9-10(8-11)4-2-5-10/h2-9H2,1H3
InChIKeyDNZTYOWDTGKFLL-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.60
Rot. Bonds7

About 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane

1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane (PubChem CID 65008111) has the molecular formula C10H19BrO2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane
PubChem CID65008111
Molecular FormulaC10H19BrO2
Molecular Weight251.16 g/mol
Exact Mass250.06
IUPAC Name1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane
SMILESCOCCCOCC1(CBr)CCC1
InChIInChI=1S/C10H19BrO2/c1-12-6-3-7-13-9-10(8-11)4-2-5-10/h2-9H2,1H3
InChIKeyDNZTYOWDTGKFLL-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane?
The IUPAC name of 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane (CID 65008111) is 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane is COCCCOCC1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane?
The InChIKey is DNZTYOWDTGKFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2/c1-12-6-3-7-13-9-10(8-11)4-2-5-10/h2-9H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane?
1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane has a molecular weight of 251.16 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3-methoxypropoxymethyl)cyclobutane is sourced from PubChem (CID 65008111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).